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L-Valyl-L-valine, N-pentafluoropropionyl-, decyl ester

View entire compound with spectra: 1 NMR

L-Valyl-L-valine, N-pentafluoropropionyl-, decyl ester
SpectraBase Compound ID 6592VvwsuTb
InChI InChI=1S/C23H39F5N2O4/c1-6-7-8-9-10-11-12-13-14-34-20(32)18(16(4)5)29-19(31)17(15(2)3)30-21(33)22(24,25)23(26,27)28/h15-18H,6-14H2,1-5H3,(H,29,31)(H,30,33)
InChIKey CMCOLYFSBALLRK-UHFFFAOYSA-N
Mol Weight 502.6 g/mol
Molecular Formula C23H39F5N2O4
Exact Mass 502.282999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JVnFEXKZsiB
Name L-Valyl-L-valine, N-pentafluoropropionyl-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.282998555 u
Formula C23H39F5N2O4
InChI InChI=1S/C23H39F5N2O4/c1-6-7-8-9-10-11-12-13-14-34-20(32)18(16(4)5)29-19(31)17(15(2)3)30-21(33)22(24,25)23(26,27)28/h15-18H,6-14H2,1-5H3,(H,29,31)(H,30,33)
InChIKey CMCOLYFSBALLRK-UHFFFAOYSA-N
Molecular Weight 502.567 g/mol
SMILES CCCCCCCCCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)C)=O)C(C)C)=O